mol="TBI" Charge="0"
lab="C18"	NH="1" 
lab="C19"	NH="1" 
lab="N17"	NH="0" 
lab="N16"	NH="0" 
lab="N15"	NH="0" 
lab="C14"	NH="2" 
lab="C2"	NH="0" 
lab="S1"	NH="1" 
lab="O12"	NH="0" 
lab="O13"	NH="0" 
lab="C20"	NH="3" 
lab="C3"	NH="1" 
lab="C9"	NH="0" 
lab="O11"	NH="0" 
lab="O10"	NH="1" 
lab="N4"	NH="1" 
lab="C5"	NH="1" 
lab="C6"	NH="1" 
lab="C7"	NH="1" 
lab="O8"	NH="0" 
